Geometry & MOs

Info

ID:

223861

PubChem CID:

85335672

Reduced:

N2O9H32C35 (1)

Stoich.:

A2B9C32D35 (1)

Weight, g/mol:

616.398205

ΔHf, kcal/mol:

-239.01

Dipole, Da:

8.26

IP(EA), eV:

 -8.9(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC=CC=CC1CC2C(C(=O)C3=C(C2=C4CCNCC4)CCC35C(=O)C6=C(C7=C(C(=C6C5=O)O)C(=O)C(=CC7=O)OC)O)C(=O)N1

DOS

IR

Vibrations